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eScience Infrastructures in Physical Chemistry
Annual Review of Physical Chemistry ( IF 14.7 ) Pub Date : 2022-04-20 , DOI: 10.1146/annurev-physchem-082120-041521
Samantha Kanza 1 , Cerys Willoughby 1 , Colin Leonard Bird 1 , Jeremy Graham Frey 1
Affiliation  

As the volume of data associated with scientific research has exploded over recent years, the use of digital infrastructures to support this research and the data underpinning it has increased significantly. Physical chemists have been making use of eScience infrastructures since their conception, but in the last five years their usage has increased even more. While these infrastructures have not greatly affected the chemistry itself, they have in some cases had a significant impact on how the research is undertaken. The combination of the human effort of collaboration to create open source software tools and semantic resources, the increased availability of hardware for the laboratories, and the range of data management tools available has made the life of a physical chemist significantly easier. This review considers the different aspects of eScience infrastructures and explores how they have improved the way in which we can conduct physical chemistry research.

中文翻译:


物理化学中的电子科学基础设施

近年来,随着与科学研究相关的数据量呈爆炸式增长,支持这项研究的数字基础设施的使用以及支撑它的数据显着增加。物理化学家自构思以来一直在使用 eScience 基础设施,但在过去五年中,它们的使用量增加得更多。虽然这些基础设施并没有对化学本身产生很大影响,但它们在某些情况下对研究的开展方式产生了重大影响。创建开源软件工具和语义资源的人工协作、实验室硬件可用性的提高以及可用数据管理工具的范围使物理化学家的生活变得更加轻松。

更新日期:2022-04-21
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